Geometry & MOs

Info

ID:	153356
PubChem CID:	56312542
Reduced:	BrN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	395.02694
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	6.15
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamido-N-(5-bromopyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations